1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C22H25F3N2O2 — CID 134802456

IUPAC1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCOc1ccccc1-c1cccc(CN2CCCC(C(=O)NCC(F)(F)F)C2)c1
InChIInChI=1S/C22H25F3N2O2/c1-29-20-10-3-2-9-19(20)17-7-4-6-16(12-17)13-27-11-5-8-18(14-27)21(28)26-15-22(23,24)25/h2-4,6-7,9-10,12,18H,5,8,11,13-15H2,1H3,(H,26,28)
InChIKeyTXMHMKGQOUAAIE-UHFFFAOYSA-N
MW406.45 g/mol
LogP4.25
Rot. Bonds6

About 1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 134802456) has the molecular formula C22H25F3N2O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID134802456
Molecular FormulaC22H25F3N2O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCOc1ccccc1-c1cccc(CN2CCCC(C(=O)NCC(F)(F)F)C2)c1
InChIInChI=1S/C22H25F3N2O2/c1-29-20-10-3-2-9-19(20)17-7-4-6-16(12-17)13-27-11-5-8-18(14-27)21(28)26-15-22(23,24)25/h2-4,6-7,9-10,12,18H,5,8,11,13-15H2,1H3,(H,26,28)
InChIKeyTXMHMKGQOUAAIE-UHFFFAOYSA-N
XLogP4.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 134802456) is 1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is COc1ccccc1-c1cccc(CN2CCCC(C(=O)NCC(F)(F)F)C2)c1.
What is the InChIKey of 1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is TXMHMKGQOUAAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O2/c1-29-20-10-3-2-9-19(20)17-7-4-6-16(12-17)13-27-11-5-8-18(14-27)21(28)26-15-22(23,24)25/h2-4,6-7,9-10,12,18H,5,8,11,13-15H2,1H3,(H,26,28).
What are the key properties of 1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 134802456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).